AA24246
119479-32-2 | 2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA24246
ChemicalName
2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid
CasNumber
119479-32-2
MolecularFormula
C10H17NO4
MolecularWeight
215.2463
MdlNumber
MFCD02682445
Smiles
C=CCC(C(=O)O)NC(=O)OC(C)(C)C
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AA24246
ChemicalName: 2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid
CasNumber: 119479-32-2
MolecularFormula: C10H17NO4
MolecularWeight: 215.2463
MdlNumber: MFCD02682445
Smiles: C=CCC(C(=O)O)NC(=O)OC(C)(C)C
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AA24246
ChemicalName:
2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid
CasNumber:
119479-32-2
MolecularFormula:
C10H17NO4
MolecularWeight:
215.2463
MdlNumber:
MFCD02682445
Smiles:
C=CCC(C(=O)O)NC(=O)OC(C)(C)C
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: AA24247
ChemicalName: (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate
CasNumber: 119478-56-7
MolecularFormula: C17H31N3O8S
MolecularWeight: 437.5083
MdlNumber: MFCD27953031
Smiles: C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)N(C)C)O.O.O.O
Complexity: 679
Covalently-bondedUnitCount: 4
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 6
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AA24247
ChemicalName:
(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate
CasNumber:
119478-56-7
MolecularFormula:
C17H31N3O8S
MolecularWeight:
437.5083
MdlNumber:
MFCD27953031
Smiles:
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)N(C)C)O.O.O.O
Complexity:
679
Covalently-bondedUnitCount:
4
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
6
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA24248
ChemicalName: Danofloxacin mesylate
CasNumber: 119478-55-6
MolecularFormula: C20H24FN3O6S
MolecularWeight: 453.4845
MdlNumber: MFCD00673687
Smiles: CS(=O)(=O)O.CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
Complexity: 772
Covalently-bondedUnitCount: 2
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AA24248
ChemicalName:
Danofloxacin mesylate
CasNumber:
119478-55-6
MolecularFormula:
C20H24FN3O6S
MolecularWeight:
453.4845
MdlNumber:
MFCD00673687
Smiles:
CS(=O)(=O)O.CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
Complexity:
772
Covalently-bondedUnitCount:
2
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCC=CC[C@H](/C=C/c1cccc(n1)C[C@H](CCCCO)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC=CC[C@H](/C=C/c1cccc(n1)C[C@H](CCCCO)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__